1-[(1S,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C17H27N3/c1-15-4-2-3-5-17(15)20-12-10-19(11-13-20)14-16-6-8-18-9-7-16/h6-9,15,17H,2-5,10-14H2,1H3/p+2/t15-,17-/m0/s1